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DocumentationIdentifier: MM279840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279840 |
| SMILES |
C#CC=CCC(O)CNC
|
| InChIKey |
VICCSOKEELHWMF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67603
Similarity: 0.8105
Similarity to MM67603
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375075
Similarity: 0.7264
Similarity to MM375075
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8415 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279713
Similarity: 0.7196
Similarity to MM279713
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.837 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
